3-[benzyl(ethyl)sulfamoyl]-N-(2,4-difluorophenyl)-4-methoxybenzamide

C23H22F2N2O4S — CID 2678829

IUPAC3-[benzyl(ethyl)sulfamoyl]-N-(2,4-difluorophenyl)-4-methoxybenzamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccc(F)cc2F)ccc1OC
InChIInChI=1S/C23H22F2N2O4S/c1-3-27(15-16-7-5-4-6-8-16)32(29,30)22-13-17(9-12-21(22)31-2)23(28)26-20-11-10-18(24)14-19(20)25/h4-14H,3,15H2,1-2H3,(H,26,28)
InChIKeyWDGBHVQJYXTMED-UHFFFAOYSA-N
MW460.50 g/mol
LogP4.44
Rot. Bonds8

About 3-[benzyl(ethyl)sulfamoyl]-N-(2,4-difluorophenyl)-4-methoxybenzamide

3-[benzyl(ethyl)sulfamoyl]-N-(2,4-difluorophenyl)-4-methoxybenzamide (PubChem CID 2678829) has the molecular formula C23H22F2N2O4S and a molecular weight of 460.50 g/mol. Its IUPAC name is 3-[benzyl(ethyl)sulfamoyl]-N-(2,4-difluorophenyl)-4-methoxybenzamide.

Molecular Properties

Compound Name3-[benzyl(ethyl)sulfamoyl]-N-(2,4-difluorophenyl)-4-methoxybenzamide
PubChem CID2678829
Molecular FormulaC23H22F2N2O4S
Molecular Weight460.50 g/mol
Exact Mass460.13
IUPAC Name3-[benzyl(ethyl)sulfamoyl]-N-(2,4-difluorophenyl)-4-methoxybenzamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccc(F)cc2F)ccc1OC
InChIInChI=1S/C23H22F2N2O4S/c1-3-27(15-16-7-5-4-6-8-16)32(29,30)22-13-17(9-12-21(22)31-2)23(28)26-20-11-10-18(24)14-19(20)25/h4-14H,3,15H2,1-2H3,(H,26,28)
InChIKeyWDGBHVQJYXTMED-UHFFFAOYSA-N
XLogP4.44
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.50
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-ethyl-5-[[(4-ethylbenzoyl)amino]carbamoyl]-2-methoxybenzenesulfonamide
CID 4789084
3-[benzyl(ethyl)sulfamoyl]-N-(3-chloro-4-methoxyphenyl)-4-methoxybenzamide
CID 2712878
N-(2-benzylphenyl)-3-(diethylsulfamoyl)-4-methoxybenzamide
CID 26880143
3-(diethylsulfamoyl)-N-(2-ethylsulfonylphenyl)-4-methoxybenzamide
CID 55613417
N-(1-benzyl-1,2,4-triazol-3-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide
CID 55856009
N-(2,4-difluorophenyl)-3,4-dimethoxybenzamide
CID 966752
3-[benzyl(ethyl)sulfamoyl]-N-(3-chlorophenyl)-4-fluorobenzamide
CID 4229430
N-(2-benzyl-5-methylpyrazol-3-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide
CID 55550889
N-(5-cyano-2-methoxyphenyl)-3-(diethylsulfamoyl)-4-fluorobenzamide
CID 49182836
N-(2-butoxyphenyl)-3-(diethylsulfamoyl)-4-fluorobenzamide
CID 52707592
N-benzyl-N-ethyl-2-methoxy-5-(methylaminomethyl)benzenesulfonamide
CID 113241834
3-[butyl(ethyl)sulfamoyl]-N-(2-ethoxyphenyl)-4-fluorobenzamide
CID 5082468

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(ethyl)sulfamoyl]-N-(2,4-difluorophenyl)-4-methoxybenzamide?
The IUPAC name of 3-[benzyl(ethyl)sulfamoyl]-N-(2,4-difluorophenyl)-4-methoxybenzamide (CID 2678829) is 3-[benzyl(ethyl)sulfamoyl]-N-(2,4-difluorophenyl)-4-methoxybenzamide.
What is the SMILES notation for 3-[benzyl(ethyl)sulfamoyl]-N-(2,4-difluorophenyl)-4-methoxybenzamide?
The canonical SMILES for 3-[benzyl(ethyl)sulfamoyl]-N-(2,4-difluorophenyl)-4-methoxybenzamide is CCN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccc(F)cc2F)ccc1OC.
What is the InChIKey of 3-[benzyl(ethyl)sulfamoyl]-N-(2,4-difluorophenyl)-4-methoxybenzamide?
The InChIKey is WDGBHVQJYXTMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N2O4S/c1-3-27(15-16-7-5-4-6-8-16)32(29,30)22-13-17(9-12-21(22)31-2)23(28)26-20-11-10-18(24)14-19(20)25/h4-14H,3,15H2,1-2H3,(H,26,28).
What are the key properties of 3-[benzyl(ethyl)sulfamoyl]-N-(2,4-difluorophenyl)-4-methoxybenzamide?
3-[benzyl(ethyl)sulfamoyl]-N-(2,4-difluorophenyl)-4-methoxybenzamide has a molecular weight of 460.50 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(ethyl)sulfamoyl]-N-(2,4-difluorophenyl)-4-methoxybenzamide is sourced from PubChem (CID 2678829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).